1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone

C12H13FO2 — CID 60798809

IUPAC1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2
InChIKeyIUXVHIIWQCKBKI-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.58
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone

1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone (PubChem CID 60798809) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone
PubChem CID60798809
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2
InChIKeyIUXVHIIWQCKBKI-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl benzoylacetate
CID 7170
5-Methoxy-4'-(trifluoromethyl)valerophenone
CID 527103
Ethyl 3-(4-methylphenyl)-3-oxopropanoate
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4-Benzoyldihydro-3H-furan-2-one
CID 229759
Ethyl 2-benzoylbutanoate
CID 319779
Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate
CID 2758844
Ethyl 3-(3-methylphenyl)-3-oxopropanoate
CID 2760277
Hydroxypropiophenone
CID 569605
2-(5-Hexyldioxolan-3-yl)-1-phenylethanone
CID 155155993
Methyl 4-fluorobenzoylacetate
CID 579425
Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoate
CID 600916
Ethyl 3-(3-fluorophenyl)-3-oxopropanoate
CID 2063904

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone (CID 60798809) is 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone is O=C(CC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone?
The InChIKey is IUXVHIIWQCKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone?
1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone has a molecular weight of 208.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 60798809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).